chempirical

2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde

C9H8O3CAS 29668-44-8164.16 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C9H8O3
Molar mass
164.16 g/mol
Exact mass
164.0473 Da
Melting point
49.5–50.5 °C
logP
1.27Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
29668-44-8
SMILES
O=Cc1ccc2c(c1)OCCO2
InChIKey
CWKXDPPQCVWXAG-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5-6H,3-4H2

Weigh it out

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Names and synonyms

14 names · show all
  • 1,4-Benzodioxan-6-carboxaldehyde
  • 1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-
  • 2,3-Dihydro-1,4-benzodioxin-6-carboxaldehyde
  • 1,4-Benzodioxane-6-carboxaldehyde
  • 3,4-Ethylenedioxybenzaldehyde
  • 2,3-Dihydro-1,4-benzodioxan-6-carboxaldehyde
  • 2,3-Dihydro-1,4-benzodioxin-6-aldehyde
  • 2,3-Dihydrobenzo[1,4]dioxine-6-carboxaldehyde
  • 1,4-Benzodioxane-6-aldehyde
  • 2,3-Dihydrobenzo[b][1,4]dioxine-6-carboxaldehyde
  • 2,3-Dihydrobenzo[b][1,4]dioxin-6-carboxaldehyde
  • 1,4-Benzodioxan-7-formaldehyde
  • 2,3-Dihydro-1,4-benzodioxine-6-carbaldehyde
  • 2,3-Dihydro-benzo[1,4]dioxine-6-carbaldehyde

Work with 2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Piperonal120-57-078 % similar 3,4-Diethoxybenzaldehyde2029-94-976 % similar 2,3-Dihydrobenzofuran-5-carboxaldehyde55745-70-565 % similar 3,4-Bis(benzyloxy)benzaldehyde5447-02-964 % similar 3-Methoxy-4-propoxy-benzaldehyde57695-98-463 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-862 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-262 % similar 4-Benzyloxy-3-ethoxybenzaldehyde60186-33-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Carbic anhydride129-64-6 trans-3-Hydroxycinnamic acid14755-02-3 Methyl phenylglyoxylate15206-55-0 Phenylpyruvic acid156-06-9 Methyl 4-formylbenzoate1571-08-0 2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-9 Himic anhydride2746-19-2 7-Methoxy-3H-isobenzofuran-1-one28281-58-5

Elsewhere

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